Geometry & MOs

Info

ID:	277629
PubChem CID:	103830006
Reduced:	FNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	265.147807
ΔH_f, kcal/mol:	-117.04
Dipole, Da:	5.02
IP(EA), eV:	-9.49(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CC(CC=C)NC(=O)C1=C(C=C(C=C1)F)O

DOS

IR

Vibrations